1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone

C11H9FN2O — CID 164665727

IUPAC1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone
SMILES[N-]=[N+]=C(C(=O)C1CC1)c1ccccc1F
InChIInChI=1S/C11H9FN2O/c12-9-4-2-1-3-8(9)10(14-13)11(15)7-5-6-7/h1-4,7H,5-6H2
InChIKeyPIMGEUHBVMFJAG-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.82
Rot. Bonds3

About 1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone

1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone (PubChem CID 164665727) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone
PubChem CID164665727
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone
SMILES[N-]=[N+]=C(C(=O)C1CC1)c1ccccc1F
InChIInChI=1S/C11H9FN2O/c12-9-4-2-1-3-8(9)10(14-13)11(15)7-5-6-7/h1-4,7H,5-6H2
InChIKeyPIMGEUHBVMFJAG-UHFFFAOYSA-N
XLogP1.82
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone (CID 164665727) is 1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone is [N-]=[N+]=C(C(=O)C1CC1)c1ccccc1F.
What is the InChIKey of 1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone?
The InChIKey is PIMGEUHBVMFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c12-9-4-2-1-3-8(9)10(14-13)11(15)7-5-6-7/h1-4,7H,5-6H2.
What are the key properties of 1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone?
1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone has a molecular weight of 204.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-diazo-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 164665727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).